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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_17968
http://purl.obolibrary.org/obo/CHEBI_17968
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_17968
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Preferred name
butyrate
Synonyms
1-propanecarboxylate
n-butyrate
propanecarboxylate
1-butyrate
butanoic acid, ion(1-)
butyrate
CH3-[CH2]2-COO(-)
butanoate
butanate
n-butanoate
propylformate
1-butanoate
Definitions
A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.
Raw data
oboinowl_gen:hasAlternativeId
CHEBI:22946
CHEBI:13924
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles
CCCC([O-])=O
obo_purl:charge
-1
obo_purl:inchikey
FERIUCNNQQJTOY-UHFFFAOYSA-M
obo_purl:RO_0000087
http://purl.obolibrary.org/obo/CHEBI_25212
http://purl.obolibrary.org/obo/CHEBI_61115
http://purl.obolibrary.org/obo/CHEBI_77746
oboinowl_gen:hasDbXref
PMID:7496326
KEGG:C00246
Beilstein:3601060
PMID:17190852
UM-BBD_compID:c0035
MetaCyc:BUTYRIC_ACID
Reaxys:3601060
CAS:461-55-2
Gmelin:324289
obo_purl:IAO_0000115
A short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group.
skos:notation
CHEBI:17968
oboinowl_gen:hasExactSynonym
butyrate
butanoate
obo_purl:mass
87.09718
obo_purl:inchi
InChI=1S/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)/p-1
obo_purl:formula
C4H7O2
oboinowl_gen:hasOBONamespace
chebi_ontology
obo_purl:is_conjugate_base_of
http://purl.obolibrary.org/obo/CHEBI_30772
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:hasRelatedSynonym
1-propanecarboxylate
n-butyrate
propanecarboxylate
1-butyrate
butanoic acid, ion(1-)
CH3-[CH2]2-COO(-)
butanoate
butanate
n-butanoate
propylformate
1-butanoate
oboinowl_gen:id
CHEBI:17968
rdfs:label
butyrate
obo_purl:monoisotopicmass
87.04515
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_78115
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